Dear all If I am using GGA PBE and I used psedopotentials from siesta site.
Should I generate or is it ok to proceed with it? Please clarify... Thanks On 04-Aug-2016 9:56 pm, "gagandeep Kaur" <[email protected]> wrote: > Thanks sir..bt wat abt .psf files?? > > > Sent from Samsung Mobile > > > -------- Original message -------- > From: Seyed Mohammad Tabatabaei > Date:04/08/2016 6:49 PM (GMT+05:30) > To: [email protected] > Subject: Re: [SIESTA-L] VDW Calculations > > Hi, > > I think you should set the following flags in your fdf file: > > XC.Functional VDW > XC.authors DRSLL > > Bests, > Mohammad, >
